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Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate
TL;DR: Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate (CAS 498570-48-2) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086597, AT-057/43314103, ethyl 4-(3-oxo-3-(o-tolylamino)propyl)piperazine-1-carboxylate, ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate, ethyl 4-[3-(2-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
| Molecular Formula | C17H25N3O3 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 2.09772 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1896 |
| Heavy Atoms | 23 |
| Complexity | 539.6401 |
Chemical Identifiers
| CAS Number | 498570-48-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC=C2C |
Product Overview
Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate (CAS 498570-48-2), with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol. IUPAC: ethyl 4-[3-(2-methylanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate
Property Insights of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate
The XLogP value of 2.09772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate?
The CAS number of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate is 498570-48-2.
What is the molecular formula of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate?
The molecular formula of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate is C17H25N3O3.
What is the molecular weight of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate?
The molecular weight of Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate is 319.19 g/mol.
Where can I buy Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate?
You can request a quote for Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-oxo-3-(2-toluidino)propyl]-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.